pnb

Catalog No: FT-0695234

CAS No: 113439-83-1

Chemical Name: pnb
Molecular Formula: C12H9NO2
Molecular Weight: 199.2
InChI Key: COPWPECHFWIYSP-UHFFFAOYSA-N
InChI: InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,8H2,1H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Warning
FW:	199.20500
Density:	N/A
CAS:	113439-83-1
Bolling_Point:	N/A
Product_Name:	4-Phthalimido-2-butyne
Melting_Point:	217-218ºC
Flash_Point:	N/A
MF:	C12H9NO2

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 374 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :336 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1 . Molar refractive index 5424 ', '2 . Molar volume （m3/mol）1564 ', '3 . Parachor （902K）4267 ', '4 . Surface tension 553 ', '5 . Polarizability 2150']
LogP:	1.24380
Melting_Point:	217-218ºC
FW:	199.20500
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）217-218 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
PSA:	37.38000
MF:	C12H9NO2
Exact_Mass:	199.06300

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi: Irritant;Xn: Harmful;
Risk_Statements(EU):	R36/37/38
Safety_Statements:	S37/39
Symbol:	Warning
Warning_Statement:	P261-P305 + P351 + P338
RIDADR:	NONH for all modes of transport
HS_Code:	2925190090